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DocumentationIdentifier: MM397951
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM397951 |
| SMILES |
C#CC(C#C)CC(O)CC
|
| InChIKey |
GDTFGVXQMPYTPJ-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM406983
Similarity: 0.8875
Similarity to MM406983
| Tanimoto metric | 0.8875 |
|---|---|
| Cosine metric | 0.9421 |
| Dice metric | 0.9404 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM439866
Similarity: 0.8161
Similarity to MM439866
| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.8988 |
| Dice metric | 0.8987 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371563
Similarity: 0.8125
Similarity to MM371563
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+394 more
